SCHEMBL452399

SCHEMBL452399

NCCC(O)(CN)CCN

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.46
PDE3A Q14432 2/20 0.46
LMNA P02545 1/20 0.46
ADRB3 P13945 1/20 0.46
PDE4D Q08499 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Phosphonic Acid SCHEMBL5484002 0.86 FDPS (0.42) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL24467098 0.84
SCHEMBL9556628 0.80 FDPS (0.50) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL1124307 0.76
SCHEMBL4519666 0.76 LMNA (0.38) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL17266205 0.75 HSD17B10 (0.56) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9311820 0.73 ALDH1A1 (0.41) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL747416 0.73
SCHEMBL29057236 0.73 FDPS (0.36) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL598714 0.73 FDPS (0.46) FDPSPDE3ALMNAADRB3PDE4D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 135 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275248-A1 Carbondisulfide Derived Zwitterions TPAT IP LLC 2017-09-28 US disclosed
US-9676709-B2 Carbondisulfide derived zwitterions TPAT IP LLC 2017-06-13 US disclosed
US-20170129853-A1 Carbondisulfide Derived Zwitterions TPAT IP LLC 2017-05-11 US disclosed
US-9580385-B2 Carbondisulfide derived zwitterions TPAT IP LLC 2017-02-28 US disclosed
US-20150329486-A1 Carbondisulfide Derived Zwitterions TPAT IP LLC 2015-11-19 US disclosed
US-20120065114-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 2012-03-15 US disclosed
US-20110207643-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 2011-08-25 US disclosed
US-20110082064-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 2011-04-07 US disclosed
EP-1095128-B2 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT PROCTER & GAMBLE (US) 2011-03-09 EP disclosed
EP-1100857-B1 USE OF SURFACE ACTIVE AGENTS TO REDUCE SCUM IN FABRIC CARE COMPOSITIONS PROCTER & GAMBLE (US) 2010-11-03 EP disclosed
WO-1999021954-A1 LAUNDRY COMPOSITIONS HAVING REDUCED MALODOR AND METHODS FOR PROVIDING THE SAME THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 WO disclosed
WO-1999016802-A1 COPOLYMERIC COMPOUNDS COMPRISING ONE OR MORE ACTIVE ALDEHYDE MONOMERIC UNIT THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 WO disclosed
WO-1999016803-A1 CO-POLYMERIC COMPOUNDS COMPRISING ONE OR MORE ACTIVE ALDEHYDE MONOMERIC UNIT THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 WO disclosed
WO-1999016801-A1 GLYOXYLIC COMPOUND COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 WO disclosed
WO-1999016804-A1 GLYOXYLIC COMPOUND COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 WO disclosed
WO-1999016811-A1 ETHOXYLATED AMINO-FUNCTIONAL POLYMERS THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 WO disclosed
WO-1999009122-A1 CLEAR LIQUID FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-02-25 WO disclosed
WO-1998027191-A1 RINSE-ADDED AND DRYER-ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF ESTER FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-06-25 WO disclosed
WO-1998012292-A1 FABRIC SOFTENERS HAVING INCREASED PERFORMANCE THE PROCTER & GAMBLE COMPANY (US) 1998-03-26 WO disclosed
WO-1998007811-A2 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170129853-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 FDPS 3591/4885PDE3A 94/4885LMNA 3917/4885
US-20170275248-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 FDPS 3591/4885PDE3A 94/4885LMNA 3917/4885
US-20110082064-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT MAOA, MAOB, CMA1 FDPS 1149/4885PDE3A 239/4885LMNA 2715/4885
US-20150329486-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 FDPS 3591/4885PDE3A 94/4885LMNA 3917/4885
US-20110207643-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT MAOA, MAOB, CMA1 FDPS 1149/4885PDE3A 239/4885LMNA 2715/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.